2-(2-chlorophenyl)-5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2-chlorophenyl)-5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-2-(2-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(2-chlorophenyl)-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(2-chlorophenyl)-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-2-(2-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClNO2S/c1-12(21)11-20-15-8-4-5-9-16(15)23-17(10-18(20)22)13-6-2-3-7-14(13)19/h2-9,17H,10-11H2,1H3